2-methyl-3-(4-methylpentanoyl)-1,4,8-tris(oxidanyl)phenanthrene-9,10-dione

Systemtic Name: 2-methyl-3-(4-methylpentanoyl)-1,4,8-tris(oxidanyl)phenanthrene-9,10-dione Openeye Name: 1,4,8-trihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione CAS Name: 1,4,8-trihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)phenanthrene-9,10-dione IUPAC Name: 1,4,8-trihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione Traditional Name: 1,4,8-trihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-quinone Formula: C21H20O6 MolecularWeight: 368.3799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=C(C(=CC=C3)O)C(=O)C2=O)C(=C1C(=O)CCC(C)C)O)O

Isomeric SMILES

CC1=C(C2=C(C3=C(C(=CC=C3)O)C(=O)C2=O)C(=C1C(=O)CCC(C)C)O)O

InChI

InChI=1S/C21H20O6/c1-9(2)7-8-13(23)14-10(3)18(24)17-16(19(14)25)11-5-4-6-12(22)15(11)20(26)21(17)27/h4-6,9,22,24-25H,7-8H2,1-3H3